Li5Mn2CoO8

Li5Mn2CoO8 is a metastable, semiconducting lithium transition-metal oxide used primarily in advanced materials research for energy storage applications.

Crystal structure of Li5Mn2CoO8 (monoclinic, P2 (No. 3))
Ground-state structure · Materials Project
Overview

About Li5Mn2CoO8

Li5Mn2CoO8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable compound, it represents a complex structural arrangement within the lithium-manganese-cobalt-oxygen system, offering unique pathways for ion mobility and structural transformation.

This material is of significant interest in materials science due to its structural diversity, with numerous reported configurations across major databases. It serves as a subject of investigation for researchers aiming to understand the stability and performance limits of lithium-rich oxides in electrochemical systems.

At a glance

Key Properties

Cross-validated computational properties for Li5Mn2CoO8, aggregated across 3 databases.

Band Gap

0.06–1.58 eV
Range across DFT structures

Energy Above Hull

0.039 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

76
3 databases, 10 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li5Mn2CoO8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P2 (No. 3)monoclinic1.360.0389-6.6943.90
C2 (No. 5)monoclinic1.260.0396-6.6933.89
P1 (No. 1)triclinic1.580.0406-6.6933.93
P1 (No. 1)triclinic0.000.0422-6.6913.92
P1 (No. 1)triclinic1.470.0447-6.6883.94
P-1 (No. 2)triclinic0.910.0453-6.6883.97
C2/m (No. 12)monoclinic1.140.0468-6.6863.94
C2/m (No. 12)monoclinic1.220.0469-6.6863.94
C2/m (No. 12)monoclinic1.040.0482-6.6853.94
P2/m (No. 10)monoclinic1.390.0485-6.6853.93
P2/m (No. 10)monoclinic0.060.0507-6.6823.99
P-1 (No. 2)triclinic1.000.0507-6.6823.94
Uses

Applications

Where Li5Mn2CoO8 is used.

Lithium-ion battery researchCathode material developmentSolid-state ionics investigation
Reference

Frequently Asked Questions

Common questions about Li5Mn2CoO8, answered from cross-validated data.

What is Li5Mn2CoO8?

Li5Mn2CoO8 is a metastable, semiconducting lithium transition-metal oxide used primarily in advanced materials research for energy storage applications.

More questions
What is Li5Mn2CoO8 used for?
Li5Mn2CoO8 is used in lithium-ion battery research, cathode material development, and solid-state ionics investigation.
What is the band gap of Li5Mn2CoO8?
Li5Mn2CoO8 has a DFT-computed band gap of 0.06–1.58 eV across 76 reported structures.
Is Li5Mn2CoO8 a metal, semiconductor, or insulator?
With a band gap up to 1.58 eV it is a semiconductor.
Is Li5Mn2CoO8 thermodynamically stable?
Li5Mn2CoO8 has a lowest energy above hull of 0.039 eV/atom (metastable).
What is the crystal structure of Li5Mn2CoO8?
The lowest-energy reported polymorph of Li5Mn2CoO8 is monoclinic symmetry, space group P2 (No. 3).
What is the density of Li5Mn2CoO8?
The computed density of the ground-state structure of Li5Mn2CoO8 is 3.90 g/cm³.
How many polymorphs of Li5Mn2CoO8 are known?
76 structures of Li5Mn2CoO8 are reported across 3 databases, spanning 10 distinct space groups.
What elements does Li5Mn2CoO8 contain?
Li5Mn2CoO8 contains Co, Li, Mn, and O (4 elements).
Where does the data for Li5Mn2CoO8 come from?
Li5Mn2CoO8 data is cross-referenced from materials_project.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the diverse family of layered lithium transition-metal oxides, Li5Mn2CoO8 occupies a distinct niche compared to more common, commercially established materials like LiCoO2 or LiMn2O4. While those siblings are frequently utilized for their robust performance in batteries, Li5Mn2CoO8 is distinguished by its metastable nature and complex stoichiometry, positioning it as a specialized candidate for fundamental studies into phase evolution and structural complexity rather than immediate large-scale industrial deployment.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).

Analyze Li5Mn2CoO8 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →